orbital_charges     :real:2:4,4
  0.174464603067126E+001  0.109594250676220E+001  0.198584861139563E+001
  0.152628314059541E+001  0.649764041743329E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.174985490844397E+001
  0.108831394884452E+001  0.197598547548402E+001  0.153725256786562E+001
  0.646108768194026E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000
forces              :real:2:3,4
  0.262156947601821E-001  0.182833136664213E+000 -0.145747584518454E-001
 -0.147265120077158E-001  0.327278379867533E-001 -0.271442158804822E-002
 -0.348291516646546E-001 -0.177384497036370E+000  0.905283534724506E-002
  0.233399689121884E-001 -0.381764776145965E-001  0.823634469264858E-002
mermin_energy       :real:0:
 -0.726563649361795E+001
end_coords          :real:2:3,4
 -0.278940563448146E+000  0.118074993053981E+001  0.300893510257468E+000
  0.152635435768706E+001  0.171373580726257E+001  0.194951691885756E+000
  0.278940563448146E+000 -0.118074993053981E+001  0.565455148658517E+000
 -0.152635435768706E+001 -0.167594128749099E+001  0.194951691885756E+000
